Information card for entry 7002682

Structure parameters

• Formula: C45 H49.5 Cl6 N8.5 O8 V4
• Calculated formula: C45 H49.5 Cl6 N8.5 O8 V4
• Title of publication: Tri-, tetra- and octa-metallic vanadium(III) clusters from new, simple starting materials: interplay of exchange and anisotropy effects
• Authors of publication: Tidmarsh, Ian S.; Batchelor, Luke J.; Scales, Emma; Laye, Rebecca H.; Sorace, Lorenzo; Caneschi, Andrea; Schnack, Jürgen; McInnes, Eric J. L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9402 - 9409
• a: 11.8723 ± 0.0006 Å
• b: 12.7119 ± 0.0006 Å
• c: 19.8113 ± 0.0008 Å
• α: 83.16 ± 0.004°
• β: 77.797 ± 0.004°
• γ: 65.316 ± 0.005°
• Cell volume: 2653.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No